iron(3+); 6-[[2-(methylamino)ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: iron(3+); 6-[[2-(methylamino)ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: ferric 6-[[2-(methylamino)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: iron(3+); 6-[[2-(methylamino)ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: iron(3+); 6-[[2-(methylamino)ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: ferric 6-[[2-(methylamino)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H26FeN6O6+3 MolecularWeight: 502.30204

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNC=C1C=C(C=CC1=O)[N+](=O)[O-].CNCCNC=C1C=C(C=CC1=O)[N+](=O)[O-].[Fe+3]

Isomeric SMILES

CNCCNC=C1C=C(C=CC1=O)[N+](=O)[O-].CNCCNC=C1C=C(C=CC1=O)[N+](=O)[O-].[Fe+3]

InChI

InChI=1S/2C10H13N3O3.Fe/c2*1-11-4-5-12-7-8-6-9(13(15)16)2-3-10(8)14;/h2*2-3,6-7,11-12H,4-5H2,1H3;/q;;+3